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Dimethylformamide → N-2-[4-(2-tert-butyl-1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]ethyl-4-phenoxybenzenesulfonamide

HRID 120593
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반응식

HRID 120593 반응식
[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([C:17]2=[CH:18][C:19](=[O:28])[N:20]([C:24]([CH3:25])([CH3:26])[CH3:27])[S:21]2(=[O:22])=[O:23])[cH:15][cH:16]1.[O:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[c:43]1[cH:44][cH:45][c:46]([S:49](=[O:50])(=[O:51])[Cl:52])[cH:47][cH:48]1>>[NH:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([C:17]2=[CH:18][C:19](=[O:28])[N:20]([C:24]([CH3:25])([CH3:26])[CH3:27])[S:21]2(=[O:22])=[O:23])[cH:15][cH:16]1)[S:49]([c:46]1[cH:45][cH:44][c:43]([O:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:48][cH:47]1)(=[O:50])=[O:51]
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참가 물질

6

반응물 5

HCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 27947564-Phenoxybenzene-1-sulfonyl chlorideHCID 218793845-[4-(2-Amino-ethyl)-phenyl]-2-tert-butyl-1,1-dioxo-1,2-dihydro-1lambda6-isothiazol-3-one

생성물 1

HCID 21878718
N-2-[4-(2-tert-butyl-1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]ethyl-4-phenoxybenzenesulfonamide

출처 및 근거

ORD 기록
ord-89608f2f7a86482390c7a414547a082f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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